methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})[(4-phenoxyphenyl)methyl]amine

• ChemBase ID: 825692
• Molecular Formular: C24H23N3O3
• Molecular Mass: 401.45772
• Monoisotopic Mass: 401.17394161
• SMILES: n1c(onc1COc1ccccc1)CN(Cc1ccc(Oc2ccccc2)cc1)C
• Canonical SMILES: CN(Cc1onc(n1)COc1ccccc1)Cc1ccc(cc1)Oc1ccccc1
• InChI: InChI=1S/C24H23N3O3/c1-27(16-19-12-14-22(15-13-19)29-21-10-6-3-7-11-21)17-24-25-23(26-30-24)18-28-20-8-4-2-5-9-20/h2-15H,16-18H2,1H3
• InChIKey: FJGNVLFWLRQBDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})[(4-phenoxyphenyl)methyl]amine
• IUPAC Traditional name: methyl({[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl})[(4-phenoxyphenyl)methyl]amine
• Synonyms: N-methyl-N-(4-phenoxybenzyl)-1-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.224047
• LogD (pH = 7.4): 5.041452
• Log P: 5.0734754
• Molar Refractivity: 115.9837 cm^3
• Polarizability: 44.515427 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.88
• LOG S: -3.74
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 9